[4-[(3-methylphenyl)methyl]piperazin-1-yl]-[1-(phenylmethyl)-3-pyridin-3-yl-pyrazol-4-yl]methanone

Systemtic Name: [4-[(3-methylphenyl)methyl]piperazin-1-yl]-[1-(phenylmethyl)-3-pyridin-3-yl-pyrazol-4-yl]methanone Openeye Name: [1-benzyl-3-(3-pyridyl)pyrazol-4-yl]-[4-(m-tolylmethyl)piperazin-1-yl]methanone CAS Name: [4-[(3-methylphenyl)methyl]-1-piperazinyl]-[1-(phenylmethyl)-3-(3-pyridinyl)-4-pyrazolyl]methanone IUPAC Name: (1-benzyl-3-pyridin-3-ylpyrazol-4-yl)-[4-[(3-methylphenyl)methyl]piperazin-1-yl]methanone Traditional Name: [1-benzyl-3-(3-pyridyl)pyrazol-4-yl]-[4-(3-methylbenzyl)piperazino]methanone Formula: C28H29N5O MolecularWeight: 451.56276

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CN2CCN(CC2)C(=O)C3=CN(N=C3C4=CN=CC=C4)CC5=CC=CC=C5

Isomeric SMILES

CC1=CC(=CC=C1)CN2CCN(CC2)C(=O)C3=CN(N=C3C4=CN=CC=C4)CC5=CC=CC=C5

InChI

InChI=1S/C28H29N5O/c1-22-7-5-10-24(17-22)19-31-13-15-32(16-14-31)28(34)26-21-33(20-23-8-3-2-4-9-23)30-27(26)25-11-6-12-29-18-25/h2-12,17-18,21H,13-16,19-20H2,1H3